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Magnetism of (LaCoO3)n+(LaTiO3)n superlattices ( n=1,2 )
- Source :
- Physical Review B. 101
- Publication Year :
- 2020
- Publisher :
- American Physical Society (APS), 2020.
-
Abstract
- ${\mathrm{LaCoO}}_{3}$ provides a poignant example of a transition metal oxide where the cobalt cations display multiple spin states and spin transitions and which continues to garner substantial attention. In this work, we describe first principles studies, based on $\mathrm{DFT}+U$ theory, of superlattices containing ${\mathrm{LaCoO}}_{3}$, specifically ${({\mathrm{LaCoO}}_{3})}_{n}+{({\mathrm{LaTiO}}_{3})}_{n}$ for $n=1,2$. The superlattices show strong electron transfer from Ti to Co resulting in ${\mathrm{Co}}^{2+}$, significant structural distortions and a robust orbital polarization of the ${\mathrm{Co}}^{2+}$. We predict high-spin ${\mathrm{Co}}^{2+}$ and a checkerboard (G-type) antiferromagnetic ground state. We provide a detailed analysis of the magnetic interactions and phases in the superlattices. We predict that ferromagnetic order on the ${\mathrm{Co}}^{2+}$ can be stabilized by hole doping (e.g., replacing La by Sr), which is rather unusual for ${\mathrm{Co}}^{2+}$ cations.
- Subjects :
- Physics
Spin states
Magnetism
Superlattice
Doping
02 engineering and technology
021001 nanoscience & nanotechnology
01 natural sciences
Condensed Matter::Materials Science
Crystallography
Transition metal
0103 physical sciences
Antiferromagnetism
Condensed Matter::Strongly Correlated Electrons
010306 general physics
0210 nano-technology
Ground state
Spin (physics)
Subjects
Details
- ISSN :
- 24699969 and 24699950
- Volume :
- 101
- Database :
- OpenAIRE
- Journal :
- Physical Review B
- Accession number :
- edsair.doi...........f230c9345b761378ca95f6ac3bf1ad36
- Full Text :
- https://doi.org/10.1103/physrevb.101.144423